| CAS Number | 1039315-11-1 |
| Catalog Number | AG019U52 |
| Chemical Name | 4-(Tert-butoxy)benzene-1-carbothioamide |
| IUPAC Name | 4-[(2-methylpropan-2-yl)oxy]benzenecarbothioamide |
| InChI | InChI=1S/C11H15NOS/c1-11(2,3)13-9-6-4-8(5-7-9)10(12)14/h4-7H,1-3H3,(H2,12,14) |
| InChI Key | VAEZVEPJNVRCFQ-UHFFFAOYSA-N |
| MDL Number | MFCD11197000 |
| Molecular Formula | C11H15NOS |
| Molecular Weight | 209.3079 |
| SMILES | CC(OC1=CC=C(C(N)=S)C=C1)(C)C |
| Synonyms | 4-(tert-butoxy)benzene-1-carbothioamide,
1039315-11-1,
ZINC20515308,
AKOS009262187,
MCULE-8948369151,
NE24033,
Z1815149193,
|
| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.307g/mol |
| Monoisotopic Mass | 209.087g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number